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Xanthosine,2',3'-dideoxy- (9CI)(CAS No. 132194-28-6)

Xanthosine,2',3'-dideoxy- (9CI) C10H12N4O4 (cas 132194-28-6) Molecular Structure

132194-28-6 Structure

Identification and Related Records

【Name】
Xanthosine,2',3'-dideoxy- (9CI)
【Iupac name】
9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
【CAS Registry number】
132194-28-6
【Synonyms】
9-[(2R,5S)-5-(Hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
【Molecular Formula】
C10H12 N4 O4 (Products with the same molecular formula)
【Molecular Weight】
252.23
【Inchi】
InChI=1/C10H12N4O4/c15-3-5-1-2-6(18-5)14-4-11-7-8(14)12-10(17)13-9(7)16/h4-6,15H,1-3H2,(H2,12,13,16,17)/t5-,6+/m0/s1
【Canonical SMILES】
C1CC(OC1CO)N2C=NC3=C2NC(=O)NC3=O
【Isomers smiles】
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC(=O)NC3=O
【MOL File】
132194-28-6.mol

Chemical and Physical Properties

【Density】
1.91g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.837
【Flash Point】
°C
【Computed Properties】
Molecular Weight:252.22668 [g/mol]
Molecular Formula:C10H12N4O4
XLogP3:-0.7
H-Bond Donor:3
H-Bond Acceptor:4
Rotatable Bond Count:2
Tautomer Count:9
Exact Mass:252.085855
MonoIsotopic Mass:252.085855
Topological Polar Surface Area:106
Heavy Atom Count:18
Formal Charge:0
Complexity:377
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:3
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:13

Supplier Location

Top Suppliers

Shanghai Meicheng Chemical Co., Ltd.
Country:ChinaChina
Business Type:Distributor/Wholesaler
Telephone:86-21-50677091
Chengdu Fluorine Bio-tech Co., Ltd.
Country:ChinaChina
Telephone:+86-(0)-13981943743

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